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16296-72-3 | Benzo[b]thiophene-3-carboxaldehyde, 5-bromo-
CAS No: 16296-72-3 Catalog No: AG001TKT MDL No:MFCD00858578
Product Description
Catalog Number:
AG001TKT
Chemical Name:
Benzo[b]thiophene-3-carboxaldehyde, 5-bromo-
CAS Number:
16296-72-3
Molecular Formula:
C9H5BrOS
Molecular Weight:
241.1044
MDL Number:
MFCD00858578
IUPAC Name:
5-bromo-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C9H5BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
InChI Key:
LQLMHAYNFMAEHI-UHFFFAOYSA-N
SMILES:
O=Cc1csc2c1cc(Br)cc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.102g/mol
Monoisotopic Mass:
239.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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